This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
To Datasheet

CAS Number: 66455-17-2
CHEM   : Alcohols, C9-11
MOL FOR: C9 H20 O1 
MOL WT : 144.26
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.30
    Log Kow (Exper. database match) =  3.77
       Exper. Ref:  TEWARI,YB ET AL. (1982)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  220.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -3.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0328  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.38  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -5 deg C
    BP  (exp database):  213.3 deg C
    VP  (exp database):  2.27E-02 mm Hg (3.03E+000 Pa) at 25 deg C
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  156.8
       log Kow used: 3.77 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  140 mg/L (25 deg C)
        Exper. Ref:  BARTON,AFM (1984)
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  246.7 mg/L
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.12E-005  atm-m3/mole  (4.17E+000 Pa-m3/mole)
   Group Method:   5.48E-005  atm-m3/mole  (5.55E+000 Pa-m3/mole)
   Exper Database: 3.08E-05  atm-m3/mole  (3.12E+000 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.971E-005 atm-m3/mole  (4.023E+000 Pa-m3/mole)
      VP:   0.0328 mm Hg (source: MPBPVP)
      WS:   157 mg/L (source: WSKOWWIN)
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.77  (exp database)
  Log Kaw used:  -2.900  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.670
      Log Koa (experimental database):  None
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9460
   Biowin2 (Non-Linear Model)     :   0.9806
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3387  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0381  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8398
   Biowin6 (MITI Non-Linear Model):   0.9438
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7795
 Ready Biodegradability Prediction:   YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.03 Pa (0.0227 mm Hg)
  Log Koa (Koawin est  ): 6.670
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.91E-007 
       Octanol/air (Koa) model:  1.15E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.58E-005 
       Mackay model           :  7.93E-005 
       Octanol/air (Koa) model:  9.18E-005 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.9553 E-12 cm3/molecule-sec
      Half-Life =     0.766 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.197 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.75E-005 (Junge-Pankow, Mackay avg)
      9.18E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  69.77  L/kg (MCI method)
      Log Koc:  1.844       (MCI method)
      Koc    :  397.2  L/kg (Kow method)
      Log Koc:  2.599       (Kow method)
       Experimental Log Koc:  1.89  (database)
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.154 (BCF = 142.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3371 days (HL = 0.4601 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.171 (BCF = 148.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.171 (BAF = 148.2)
       log Kow used: 3.77 (expkow database)
 Volatilization from Water:
    Henry LC:  3.08E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      24.06  hours   (1.002 days)
    Half-Life from Model Lake :      363.2  hours   (15.13 days)
 Removal In Wastewater Treatment:
    Total removal:              21.94  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    20.37  percent
    Total to Air:                1.32  percent
      (using 10000 hr Bio P,A,S)
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.92            18.4         1000       
   Water     29.6            208          1000       
   Soil      67.4            416          1000       
   Sediment  0.122           1.87e+003    0          
     Persistence Time: 264 hr